SCHEMBL4004599

SCHEMBL4004599

Fc1ccc2nc(-c3cccc4c3ncn4CCCCC3CCNCC3)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 5/20 0.39
CDK9 P50750 1/20 0.37
PRPS1 P60891 5/20 0.37
CHEK2 O96017 2/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
CBFB Q13951 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
SSTR5 P35346 1/20 0.35
SSTR2 P30874 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL604674 0.93 PRPS1 (0.39) CDK9PRPS1HRH4
SCHEMBL604094 0.84 HRH4 (0.44) CDK9PRPS1HRH4
SCHEMBL605111 0.78 SYK (0.39) AMY1APRPS1HRH4
SCHEMBL4169750 0.77 CDK9 (0.43) CDK9PRPS1CHEK2
SCHEMBL605522 0.75 SSTR5 (0.41) HRH4SSTR5SSTR2KCNH2
SCHEMBL12057245 0.75 PRPS1 (0.48) CDK9PRPS1CHEK2
SCHEMBL605746 0.75 NPBWR1 (0.41) CBFBSSTR2KCNH2IDO1
SCHEMBL602268 0.74 KDR (0.43) AMY1ACHEK2HRH4IDO1
SCHEMBL605115 0.74 HRH4 (0.50) PRPS1HRH4SSTR5KCNH2
SCHEMBL603849 0.73 F2 (0.36) CDK9CHEK2CBFBHRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009079001-A1 BICYCLIC HETEROARYL-SUBSTITUTED IMIDAZOLES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO claimed